SCHEMBL8410087

SCHEMBL8410087

Nc1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(N)nc(Nc5ccccc5)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1.[Na].[Na]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.46
▸ CA1 P00915 5/20 0.46
▸ CA2 P00918 5/20 0.46
▸ CA9 Q16790 5/20 0.46
▸ SNCA P37840 1/20 0.45
▸ CHAT P28329 4/20 0.44
▸ APEX1 P27695 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TERT O14746 1/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NSD2 O96028 2/20 0.43
▸ CASP6 P55212 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29970929 0.99 TERT (0.44) CA12CA1CA2CA9SNCA
SCHEMBL15783862 0.99 TERT (0.44) CA12CA1CA2CA9SNCA
SCHEMBL2203103 0.99 TERT (0.44) CA12CA1CA2CA9SNCA
SCHEMBL8410062 0.98 TERT (0.43) CA12CA1CA2CA9SNCA
Potassium SCHEMBL2219790 0.98 TERT (0.43) CA12CA1CA2CA9SNCA
SCHEMBL2203572 0.98 CA12 (0.46) CA12CA1CA2CA9SNCA
SCHEMBL16363762 0.97 CHAT (0.48) CA12CA1CA2CA9SNCA
SCHEMBL15782099 0.94 CA12 (0.41) CA12CA1CA2CA9SNCA
SCHEMBL2221705 0.94 SNCA (0.50) CA12CA1CA2CA9SNCA
SCHEMBL17550065 0.93 CA12 (0.52) CA12CA1CA2CA9CHAT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550048-B2 Inorganic ion exchange material and detergent composition KAO CORP (JP) 1999-07-28 — — EP disclosed
US-5427711-A An ion exchanger comprising the oxide of sodium and/or potassium, calcium and/or magnesium, silicon; alkalinity, water insolubility KAO CORPORATION (JP) 1995-06-27 — — US disclosed
EP-0550048-A1 Inorganic ion exchange material and detergent composition Kao Corporation (JP) 1993-07-07 — — EP disclosed
Send feedback